(2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide

C17H22N2O6 — CID 52943079

IUPAC(2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@H]1O[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H22N2O6/c1-9(16(22)19-11-6-4-3-5-7-11)24-15-13(18-10(2)20)17-23-8-12(25-17)14(15)21/h3-7,9,12-15,17,21H,8H2,1-2H3,(H,18,20)(H,19,22)/t9-,12-,13-,14-,15+,17-/m1/s1
InChIKeyWNJHHRIDXKHUQY-PELBVDOCSA-N
MW350.37 g/mol
LogP0.02
Rot. Bonds5

About (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide

(2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide (PubChem CID 52943079) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide
PubChem CID52943079
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name(2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@H]1O[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H22N2O6/c1-9(16(22)19-11-6-4-3-5-7-11)24-15-13(18-10(2)20)17-23-8-12(25-17)14(15)21/h3-7,9,12-15,17,21H,8H2,1-2H3,(H,18,20)(H,19,22)/t9-,12-,13-,14-,15+,17-/m1/s1
InChIKeyWNJHHRIDXKHUQY-PELBVDOCSA-N
XLogP0.02
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide (CID 52943079) is (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide is CC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@H]1O[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide?
The InChIKey is WNJHHRIDXKHUQY-PELBVDOCSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-9(16(22)19-11-6-4-3-5-7-11)24-15-13(18-10(2)20)17-23-8-12(25-17)14(15)21/h3-7,9,12-15,17,21H,8H2,1-2H3,(H,18,20)(H,19,22)/t9-,12-,13-,14-,15+,17-/m1/s1.
What are the key properties of (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide?
(2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide has a molecular weight of 350.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R,2S,3S,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]-N-phenylpropanamide is sourced from PubChem (CID 52943079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).